Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction

Author:

Liu Weiping1,Zhao Chun23,Zhou Yu1,Xu Xianzhen13ORCID

Affiliation:

1. College of Chemistry and Chemical Engineering, Instrumental Analysis Center of Qingdao University, Shandong Sino-Japanese Center for Collaborative Research of Carbon Nanomaterials, Collaborative Innovation Center for Marine Biomass Fiber Materials and Textiles, Laboratory of Fiber Materials and Modern Textile, Qingdao University, Qingdao 266071, Shandong, China

2. Qingdao Hengxing University of Science and Technology, Qingdao 266100, China

3. Qingdao Boting Hydrogen Age Ocean Technology R&D Center, Qingdao Boting Technology Co., Ltd, Qingdao 266100, Shandong, China

Abstract

The modeling of phase equilibrium for electrolyte solutions plays an important role in chemical thermodynamics. Modeling and calculation of the vapor-liquid equilibrium (VLE) for an electrolyte solution are studied in this paper. The influence mechanism for the microscopic interaction on the macroscopic VLE is further studied by COSMOtherm. Then, a developed model is proposed. The interaction parameters in the model are linked to the COSMO interaction energy (H_int). The interaction equations are remodeled using 1stopt software, and components are used to replace the “interaction parameters” used in a previous model. The developed model can be used to successfully predict VLE data for electrolyte solutions based on the α and hi parameters.

Funder

National Natural Science Foundation of China

Publisher

Hindawi Limited

Subject

General Chemistry

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